ACCESSION: MSBNK-Waters-WA002886
RECORD_TITLE: N-1-(Hydroxyethyl)flurazepam; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: N-1-(Hydroxyethyl)flurazepam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₄ClFN₂O₂
CH$EXACT_MASS: 332.07278
CH$SMILES: OCCN(C(=O)2)c(c3)c(cc(Cl)c3)C(=NC2)c(c1)c(F)ccc1
CH$IUPAC: InChI=1S/C17H14ClFN2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)20-10-16(23)21(15)7-8-22/h1-6,9,22H,7-8,10H2
CH$LINK: CAS 20971-53-3
CH$LINK: INCHIKEY FOCBRQQHNOKOJQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10175152

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 15.400 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V, 90 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0bt9-0890000000-85d605e5531ba19ec98f
PK$NUM_PEAK: 141
PK$PEAK: m/z int. rel.int.
  109 999 999
  110 39 39
  113 8 8
  117 39 39
  118 8 8
  120 12 12
  121 8 8
  122 12 12
  123 192 192
  124 27 27
  125 55 55
  127 27 27
  130 90 90
  131 306 306
  132 20 20
  133 27 27
  134 51 51
  135 8 8
  136 12 12
  138 39 39
  139 12 12
  140 306 306
  141 98 98
  142 94 94
  143 31 31
  146 12 12
  148 12 12
  149 8 8
  150 67 67
  151 12 12
  152 27 27
  153 86 86
  154 24 24
  155 31 31
  156 20 20
  158 24 24
  159 24 24
  162 12 12
  163 8 8
  164 31 31
  165 78 78
  166 215 215
  167 47 47
  168 90 90
  169 12 12
  170 8 8
  179 12 12
  180 16 16
  181 8 8
  183 39 39
  184 106 106
  185 8 8
  186 24 24
  191 31 31
  193 12 12
  194 114 114
  195 12 12
  196 39 39
  197 12 12
  198 12 12
  199 12 12
  204 12 12
  205 27 27
  206 31 31
  207 16 16
  209 20 20
  210 12 12
  211 760 760
  212 129 129
  213 12 12
  214 82 82
  215 12 12
  216 31 31
  217 12 12
  219 24 24
  222 55 55
  223 43 43
  224 78 78
  225 208 208
  226 204 204
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  241 20 20
  242 31 31
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  259 196 196
  260 145 145
  261 129 129
  262 55 55
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  316 12 12
  317 31 31
  333 55 55
  334 8 8
  335 24 24
  355 31 31
  357 8 8
  359 8 8
  371 31 31
  373 16 16
//